SCHEMBL8259868

SCHEMBL8259868

CCOOCc1ccc(Cl)c(-c2cnc(NC(=O)c3ccncc3C)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 4/20 0.40
▸ STIM1 Q13586 1/20 0.38
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ F10 P00742 7/20 0.37
▸ USP28 Q96RU2 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLQ O75417 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15395989 0.89 IL2 (0.43) IL2STIM1ORAI1ORAI2F10
SCHEMBL5554247 0.84 ALDH1A1 (0.48) IL2STIM1ORAI1ORAI2F10
SCHEMBL8260575 0.83 IL2 (0.48) IL2POLQ
SCHEMBL15395770 0.83 IL2 (0.46) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL5550895 0.81 IL2 (0.43) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL13170837 0.80 ABCB1 (0.43) F10NPC1RAB9AMAPTKLKB1
SCHEMBL15395851 0.80 IL2 (0.51) IL2NPC1RAB9AMAPT
SCHEMBL5554346 0.79 IL2 (0.52) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL5556038 0.78 ALDH1A1 (0.41) IL2STIM1ORAI1ORAI2F10
SCHEMBL8260146 0.77 IL2 (0.39) IL2STIM1ORAI1ORAI2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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